SCHEMBL4686604

SCHEMBL4686604

CNCCC(=O)OCc1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CLCN2 P51788 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
FOLH1 Q04609 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
LTA4H P09960 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4684273 0.92 TP53 (0.43) HTTTP53TSHRCYP2C9HIF1A
SCHEMBL4684263 0.85 HTT (0.47) HTTTP53CLCN2TSHRCYP2C9
SCHEMBL11615588 0.83 TP53 (0.48) HTTTP53CLCN2TSHRCYP2C9
SCHEMBL8839197 0.82 HTT (0.47) HTTTP53TSHRCYP2C9HIF1A
SCHEMBL292345 0.80 TP53 (0.54) HTTTP53CLCN2TSHRFOLH1
SCHEMBL30873521 0.80 TP53 (0.54) HTTTP53CLCN2TSHRFOLH1
SCHEMBL5214847 0.80 ALDH1A1 (0.58) HTTKMT2AALDH1A1L3MBTL1HPGD
SCHEMBL23832315 0.79 KDM4E (0.55) HTTTP53TSHRKMT2AALDH1A1
SCHEMBL4680106 0.79 FOLH1 (0.45) HTTTP53TSHRCYP2C9HIF1A
Hydrochloric Acid SCHEMBL5214845 0.78 ALDH1A1 (0.56) HTTKMT2AALDH1A1L3MBTL1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP claimed